General Information of the Compound
| Compound ID |
CP0397995
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| Compound Name |
(6aR,9R)-N-(2-fluorophenyl)-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide
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| Structure |
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| Formula |
C26H25FN4O2
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| Molecular Weight |
444.51
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| Canonical SMILES |
Fc1ccccc1NC(=O)N1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N1CCCC1
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| InChI |
InChI=1S/C26H25FN4O2/c27-20-7-1-2-8-21(20)29-26(33)31-15-17(25(32)30-10-3-4-11-30)12-19-18-6-5-9-22-24(18)16(14-28-22)13-23(19)31/h1-2,5-9,12,14,17,23,28H,3-4,10-11,13,15H2,(H,29,33)/t17-,23-/m1/s1
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| InChIKey |
QVPUWQGLNOQOLC-UZUQRXQVSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT05171, C-X-C chemokine receptor type 3
Protein ID: PT03433, C-X-C chemokine receptor type 3